N,N-Diethylbenzenesulfonamide

Base Information

• Chemical Name: N,N-Diethylbenzenesulfonamide
• CAS No.: 1709-50-8
• Molecular Formula: C10H15 N O2 S
• Molecular Weight: 213.301
• Hs Code.: 2935009090
• NSC Number: 3551
• UNII: A6LR4L2AD6
• DSSTox Substance ID: DTXSID8075120
• Nikkaji Number: J41.396H
• Wikidata: Q82003149
• Mol file: 1709-50-8.mol

Synonyms:N,N-diethylbenzenesulfonamide

Chemical Property of N,N-Diethylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0.000462mmHg at 25°C
• Melting Point: 38.5-40 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Refractive Index: 1.5060 (estimate)
• Boiling Point: 314.6°C at 760 mmHg
• PKA: -4.91±0.70(Predicted)
• Flash Point: 144°C
• PSA: 45.76000
• Density: 1.134g/cm³
• LogP: 2.79790
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.08234989
• Heavy Atom Count: 14
• Complexity: 246

Purity/Quality:

99.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)S(=O)(=O)C1=CC=CC=C1

Technology Process of N,N-Diethylbenzenesulfonamide

There total 42 articles about N,N-Diethylbenzenesulfonamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

thiophenol (108-98-5) + diethylamine (109-89-7) → N,N-diethylbenzenesulfonamide (1709-50-8)

Guidance literature:

thiophenol; With dihydrogen peroxide; zirconium(IV) chloride; In acetonitrile; at 25 ℃;

diethylamine; With pyridine; In acetonitrile; at 25 ℃; for 0.05h; chemoselective reaction;

DOI:10.1016/j.tetlet.2010.07.056

Reference yield: 96.0%

diethylamine (109-89-7) + benzenesulfonyl chloride (98-09-9) → N,N-diethylbenzenesulfonamide (1709-50-8)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol201175g

Reference yield: 95.6%

diethylamine (109-89-7) → N,N-diethylbenzenesulfonamide (1709-50-8)

Guidance literature:

In tetrahydrofuran; at 25 ℃; for 13.5h; Inert atmosphere;

DOI:10.1021/cc900162w

upstream raw materials:

diethylamine

benzenesulfonyl chloride

benzenesulfonamide

ethyl bromide

Downstream raw materials:

N,N-diethylnicotinamide

diisopropyl (2-(N,N-diethylsulfamoyl)phenyl)phosphonate

Refernces

• 1、 Firoozi, Somayeh,Hosseini-Sarvari, Mona. "Nanosized CdS as a Reusable Photocatalyst: The Study of Different Reaction Pathways between Tertiary Amines and Aryl Sulfonyl Chlorides through Visible-Light-Induced N-Dealkylation and C-H Activation Processes". . p. 2117 - 2134. Retrieved 2021/02/05.
• 2、 Zhou, Zhongshi,He, Xuehan. "Synthesis of sulfonamides promoted by alkyl iodide via a hypervalent iodine intermediate". supporting information. p. 280 - 284. Retrieved 2019/11/16.